1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol

C15H22BrNO — CID 103157168

IUPAC1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol
SMILESOC(CNCc1ccc(Br)cc1)CC1CCCC1
InChIInChI=1S/C15H22BrNO/c16-14-7-5-13(6-8-14)10-17-11-15(18)9-12-3-1-2-4-12/h5-8,12,15,17-18H,1-4,9-11H2
InChIKeyLVQCTEJKHFXGMV-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.48
Rot. Bonds6

About 1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol

1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol (PubChem CID 103157168) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol
PubChem CID103157168
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol
SMILESOC(CNCc1ccc(Br)cc1)CC1CCCC1
InChIInChI=1S/C15H22BrNO/c16-14-7-5-13(6-8-14)10-17-11-15(18)9-12-3-1-2-4-12/h5-8,12,15,17-18H,1-4,9-11H2
InChIKeyLVQCTEJKHFXGMV-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine
CID 43317301
1-(4-bromoanilino)-3-cyclopentylpropan-2-ol
CID 103157119
1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 103157191
1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol
CID 103157464
1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103157779
1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol
CID 105077414
5-[(4-bromophenyl)methylamino]-4-hydroxypentanoic acid
CID 115122675
1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 103157723
1-cyclopentyl-2-[(4-fluorophenyl)methylamino]ethanol
CID 111425447
1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol
CID 10359618
1-cyclopentyl-3-(quinolin-8-ylmethylamino)propan-2-ol
CID 103158149
1-bromo-4-(cyclopentylmethyl)benzene
CID 18754946

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol (CID 103157168) is 1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol is OC(CNCc1ccc(Br)cc1)CC1CCCC1.
What is the InChIKey of 1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol?
The InChIKey is LVQCTEJKHFXGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c16-14-7-5-13(6-8-14)10-17-11-15(18)9-12-3-1-2-4-12/h5-8,12,15,17-18H,1-4,9-11H2.
What are the key properties of 1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol?
1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol has a molecular weight of 312.25 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103157168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).